CID 24208918

2,6-dimethyl-4-[4-(4-methylphenyl)-2-thienyl]-1,4-dihydro-3,5-pyridinedicarbonitrile

Structural Information

Molecular Formula
C20H17N3S
SMILES
CC1=CC=C(C=C1)C2=CSC(=C2)C3C(=C(NC(=C3C#N)C)C)C#N
InChI
InChI=1S/C20H17N3S/c1-12-4-6-15(7-5-12)16-8-19(24-11-16)20-17(9-21)13(2)23-14(3)18(20)10-22/h4-8,11,20,23H,1-3H3
InChIKey
JTKXOXCAAYEXMJ-UHFFFAOYSA-N
Compound name
2,6-dimethyl-4-[4-(4-methylphenyl)thiophen-2-yl]-1,4-dihydropyridine-3,5-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.11432 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.12160 191.7
[M+Na]+ 354.10354 203.8
[M-H]- 330.10704 197.0
[M+NH4]+ 349.14814 201.5
[M+K]+ 370.07748 195.3
[M+H-H2O]+ 314.11158 175.3
[M+HCOO]- 376.11252 198.3
[M+CH3COO]- 390.12817 197.4
[M+Na-2H]- 352.08899 187.0
[M]+ 331.11377 184.1
[M]- 331.11487 184.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.